Found 8 hits from National Cancer Istitute-Frederick Cancer Research and Development Center Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50451175
(CHEMBL3138187)Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C45H60Cl2O6/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53)/t26?,27-,30?,32-,35+,36-,37-,44-,45+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50077215
(2-(2-carboxylatobenzyloxy)-5-{1-[3-carboxylato-4-(...)Show SMILES [Na+].[Na+].[Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4ccccc4-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C61H72Cl2O10.4Na/c1-35(2)12-10-13-36(3)49-22-23-50-46-21-20-42-28-37(24-26-60(42,4)51(46)25-27-61(49,50)5)14-11-19-43(40-29-47(58(68)69)54(52(62)31-40)72-33-38-15-6-8-17-44(38)56(64)65)41-30-48(59(70)71)55(53(63)32-41)73-34-39-16-7-9-18-45(39)57(66)67;;;;/h6-9,15-19,29-32,35-37,42,46,49-51H,10-14,20-28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71);;;;/q;4*+1/p-4/t36?,37-,42?,46-,49+,50-,51-,60-,61+;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50095335
(CHEMBL3138115 | Cosalane derivative)Show SMILES [Na+].[Na+].[Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#5](-[#8])-[#8-])c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#5](-[#8])-[#8-])c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C59H72B2Cl2O10.4Na/c1-35(2)10-6-11-36(3)49-20-21-50-46-19-18-42-26-37(22-24-58(42,4)51(46)23-25-59(49,50)5)12-9-17-45(40-29-47(56(64)65)54(52(62)31-40)72-33-38-13-7-15-43(27-38)60(68)69)41-30-48(57(66)67)55(53(63)32-41)73-34-39-14-8-16-44(28-39)61(70)71;;;;/h7-8,13-17,27-32,35-37,42,46,49-51,68,70H,6,9-12,18-26,33-34H2,1-5H3,(H,64,65)(H,66,67);;;;/q-2;4*+1/p-2/t36?,37-,42?,46-,49+,50-,51-,58-,59+;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50077216
(5-{1-[3-carboxylato-5-chloro-4-(3-nitrobenzyloxy)p...)Show SMILES [Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#7+](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#7+](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C59H70Cl2N2O10.2Na/c1-35(2)10-6-11-36(3)49-20-21-50-46-19-18-42-26-37(22-24-58(42,4)51(46)23-25-59(49,50)5)12-9-17-45(40-29-47(56(64)65)54(52(60)31-40)72-33-38-13-7-15-43(27-38)62(68)69)41-30-48(57(66)67)55(53(61)32-41)73-34-39-14-8-16-44(28-39)63(70)71;;/h7-8,13-17,27-32,35-37,42,46,49-51H,6,9-12,18-26,33-34H2,1-5H3,(H,64,65)(H,66,67);;/q;2*+1/p-2/t36?,37-,42?,46-,49+,50-,51-,58-,59+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50095337
(5-{1-{3-carboxylato-4-[4-(3-carboxyphenyl)benzylox...)Show SMILES [Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](/c3cc(Cl)c(-[#8]-[#6]-c4ccc(cc4)-c4cccc(c4)-[#6](-[#8])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4ccc(cc4)-c4cccc(c4)-[#6](-[#8])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C73H80Cl2O10.2Na/c1-43(2)10-6-11-44(3)61-28-29-62-58-27-26-56-34-45(30-32-72(56,4)63(58)31-33-73(61,62)5)12-7-17-57(54-37-59(70(80)81)66(64(74)39-54)84-41-46-18-22-48(23-19-46)50-13-8-15-52(35-50)68(76)77)55-38-60(71(82)83)67(65(75)40-55)85-42-47-20-24-49(25-21-47)51-14-9-16-53(36-51)69(78)79;;/h8-9,13-25,35-40,43-45,56,58,61-63H,6-7,10-12,26-34,41-42H2,1-5H3,(H,76,77)(H,78,79)(H,80,81)(H,82,83);;/q;2*+1/p-2/t44?,45-,56?,58-,61+,62-,63-,72-,73+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50077214
(2-(3-carboxylatobenzyloxy)-5-{1-[3-carboxylato-4-(...)Show SMILES [Na+].[Na+].[Na+].[Na+].[H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-c3cc(Cl)c(-[#8]-[#6]-c4cccc(c4)-[#6](-[#8-])=O)c(c3)-[#6](-[#8-])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C61H72Cl2O10.4Na/c1-35(2)10-6-11-36(3)49-20-21-50-46-19-18-44-28-37(22-24-60(44,4)51(46)23-25-61(49,50)5)12-9-17-45(42-29-47(58(68)69)54(52(62)31-42)72-33-38-13-7-15-40(26-38)56(64)65)43-30-48(59(70)71)55(53(63)32-43)73-34-39-14-8-16-41(27-39)57(66)67;;;;/h7-8,13-17,26-27,29-32,35-37,44,46,49-51H,6,9-12,18-25,28,33-34H2,1-5H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71);;;;/q;4*+1/p-4/t36?,37-,44?,46-,49+,50-,51-,60-,61+;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50451176
(CHEMBL3137848)Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C49H66Cl2N2O8/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-48(32,4)39(34)17-19-49(37,38)5)10-7-11-33(30-21-35(44(58)40(50)23-30)46(60)52-25-42(54)55)31-22-36(45(59)41(51)24-31)47(61)53-26-43(56)57/h11,21-24,27-29,32,34,37-39,58-59H,6-10,12-20,25-26H2,1-5H3,(H,52,60)(H,53,61)(H,54,55)(H,56,57)/t28?,29-,32?,34-,37+,38-,39-,48-,49+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50095336
(2-(5-{1-[3-(1-carboxy-3-methylsulfanylpropylcarbam...)Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](-[#8])=O)-[#6]-[#6][C@]12[#6] Show InChI InChI=1S/C55H78Cl2N2O8S2/c1-31(2)10-8-11-32(3)41-16-17-42-38-15-14-36-26-33(18-22-54(36,4)43(38)19-23-55(41,42)5)12-9-13-37(34-27-39(48(60)44(56)29-34)50(62)58-46(52(64)65)20-24-68-6)35-28-40(49(61)45(57)30-35)51(63)59-47(53(66)67)21-25-69-7/h13,27-33,36,38,41-43,46-47,60-61H,8-12,14-26H2,1-7H3,(H,58,62)(H,59,63)(H,64,65)(H,66,67)/t32?,33-,36?,38-,41+,42-,43-,46-,47-,54-,55+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Istitute-Frederick Cancer Research and Development Center
Curated by ChEMBL
| Assay Description
Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants |
Bioorg Med Chem Lett 11: 59-62 (2001)
BindingDB Entry DOI: 10.7270/Q2XW4J3F |
More data for this
Ligand-Target Pair | |
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